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5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774)

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ChEBI Name 5-[2-(feruloyl)ethen-1-yl]thalidomide
ChEBI ID CHEBI:74774
Definition A dicarboximide that is thalidomide substituted at position 5 by an ethenyl group, which in turn is substituted by a feruloyl group at position 2. The compound is a hybrid based on the structures of thalidomide and curcumin and has been found to exhibit cytotoxicity against human multiple myeloma cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C25H20N2O7 ChEBI
Net Charge 0
Average Mass 460.43550
InChI
InChI=1S/C25H20N2O7/c1-34-21-13-15(5-10-20(21)29)3-7-16(28)6-2-14-4-8-17-18(12-14)25(33)27(24(17)32)19-9-11-22(30)26-23(19)31/h2-8,10,12-13,19,29H,9,11H2,1H3,(H,26,30,31)/b6-2+,7-3+
InChIKey
HEMJTXBCAXHSBV-YPCIICBESA-N
SMILES
COc1cc(\C=C\C(=O)\C=C\c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)ccc1O
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing 5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) has functional parent thalidomide (CHEBI:9513)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) has role antineoplastic agent (CHEBI:35610)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a aromatic ether (CHEBI:35618)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a dicarboximide (CHEBI:35356)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a enone (CHEBI:51689)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a isoindoles (CHEBI:24897)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a phenols (CHEBI:33853)
5-[2-(feruloyl)ethen-1-yl]thalidomide (CHEBI:74774) is a piperidones (CHEBI:48589)
IUPAC Name
2-(2,6-dioxopiperidin-3-yl)-5-[(1E,4E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopenta-1,4-dien-1-yl]-1H-isoindole-1,3(2H)-dione
Synonym Source
5-[(1E,4E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopenta-1,4-dien-1-yl]thalidomide ChEBI
Citation Waiting for Citations Type Source
23784627 PubMed citation CiteXplore
Last Modified
24 July 2013

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